Input 06-rdmft.03-gs_grid.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-03 0.000000000000000e+00 PASS
RDMFT converged energy -1.176087153500000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172204999999483e-04 PASS
RDMFT highest occupation number 1.946763519929000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.319702499988587e-05 PASS
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